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116541-92-5 | 2H-1-Benzopyran-2-one, 8-[2-(4-bromophenyl)diazenyl]-7-hydroxy-4-methyl-
CAS No: 116541-92-5 Catalog No: AG000CQX MDL No:
Product Description
Catalog Number:
AG000CQX
Chemical Name:
2H-1-Benzopyran-2-one, 8-[2-(4-bromophenyl)diazenyl]-7-hydroxy-4-methyl-
CAS Number:
116541-92-5
Molecular Formula:
C16H11BrN2O3
Molecular Weight:
359.1741
IUPAC Name:
8-[(4-bromophenyl)diazenyl]-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C16H11BrN2O3/c1-9-8-14(21)22-16-12(9)6-7-13(20)15(16)19-18-11-4-2-10(17)3-5-11/h2-8,20H,1H3
InChI Key:
VTUMWTQZEJHINL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N=Nc1c(O)ccc2c1oc(=O)cc2C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.995g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.179g/mol
Monoisotopic Mass:
357.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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